CHEBI:64267 - 5-methyltetrahydrosarcinapterin(4−)

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ChEBI Name 5-methyltetrahydrosarcinapterin(4−)
ChEBI ID CHEBI:64267
ChEBI ASCII Name 5-methyltetrahydrosarcinapterin(4-)
Definition A tricarboxylic acid anion obtained by deprotonation of the carboxy and phosphate groups of 5-methyltetrahydrosarcinapterin; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C36H50N7O19P
Net Charge -4
Average Mass 915.79150
Monoisotopic Mass 915.29210
InChI InChI=1S/C36H54N7O19P/c1-15(26-16(2)39-31-27(43(26)3)33(54)42-36(37)41-31)38-18-6-4-17(5-7-18)12-20(44)28(50)21(45)13-59-35-30(52)29(51)23(61-35)14-60-63(57,58)62-22(9-11-25(48)49)32(53)40-19(34(55)56)8-10-24(46)47/h4-7,15-16,19-23,26,28-30,35,38,44-45,50-52H,8-14H2,1-3H3,(H,40,53)(H,46,47)(H,48,49)(H,55,56)(H,57,58)(H4,37,39,41,42,54)/p-4/t15-,16+,19+,20+,21-,22+,23-,26+,28+,29-,30-,35+/m1/s1
InChIKey DVZXLRSUEMKBID-XVKAKHOPSA-J
SMILES [H][C@]1([C@@H](C)Nc2ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]3O[C@H](COP([O-])(=O)O[C@@H](CCC([O-])=O)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O)[C@@H](O)[C@H]3O)cc2)[C@H](C)Nc2nc(N)[nH]c(=O)c2N1C
ChEBI Ontology
Outgoing 5-methyltetrahydrosarcinapterin(4−) (CHEBI:64267) is a organophosphate oxoanion (CHEBI:58945)
5-methyltetrahydrosarcinapterin(4−) (CHEBI:64267) is a tricarboxylic acid anion (CHEBI:35753)
5-methyltetrahydrosarcinapterin(4−) (CHEBI:64267) is conjugate base of 5-methyltetrahydrosarcinapterin (CHEBI:64289)
Incoming 5-methyltetrahydrosarcinapterin (CHEBI:64289) is conjugate acid of 5-methyltetrahydrosarcinapterin(4−) (CHEBI:64267)
IUPAC Name
1-[4-({(1R)-1-[(6S,7S)-2-amino-5,7-dimethyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-5-O-[5-O-({[(2S)-4-carboxylato-1-{[(1S)-1,3-dicarboxylatopropyl]amino}-1-oxobutan-2-yl]oxy}phosphinato)-α-DD-ribofuranosyl]-1-deoxy-D-ribitol
Synonyms Sources
5-methyl-5,6,7,8-tetrahydrosarcinapterin(4−) ChEBI
5-methyltetrahydrosarcinapterin UniProt
5-methyltetrahydrosarcinapterin tetraanion ChEBI
Manual Xref Database
CPD-9 MetaCyc
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Last Modified
26 February 2015